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1,762 Hit.
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Name
Formula / Structure
ExactMass
ID
PTERIN
3 spectra
C6H5N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.04941
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103005_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103003_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103004_FB57
PURINE
3 spectra
C5H4N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.04360
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103101_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103101_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103101_FB57
PUTRESCINE
3 spectra
C4H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.10005
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103204_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103203_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103201_FB57
PYRIDOXAL
3 spectra
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.05824
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103402_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103401_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103401_FB57
Quinidine anhydrous
1 spectrum
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100501_F638
Resorcinol bis(diphenyl phosphate)
3 spectra
C30H24O8P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
574.09460
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118602
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118604
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118608
Retinoic acid
3 spectra
C20H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.20889
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108826_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108827_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108826_9C9C
RIBOFLAVIN
3 spectra
C17H20N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.13828
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103704_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103704_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103704_FB57
Rosmarinic acid
3 spectra
C18H16O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.08450
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108926_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108926_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108926_9C9C
S-ADENOSYLHOMOCYSTEINE
3 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12161
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101301_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_P101338_9EE2
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101301_FB57
S-CARBOXYMETHYLCYSTEINE
4 spectra
C5H9NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.02521
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101402_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_P101433_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101402_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101403_FB57
SARCOSINE
3 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103904_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103905_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P103905_FB57
SELENOCYSTAMINE
2 spectra
C4H12N2Se2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.93311
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101505_F638
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101503_FB57
SEROTONIN
3 spectra
C10H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.09496
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104102_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104101_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104101_FB57
SPERMIDINE
3 spectra
C7H19N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.15790
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104601_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104601_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104601_FB57
SPERMINE
3 spectra
C10H26N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.21574
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104701_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104701_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P104701_FB57
Sphinganine
7 spectra
C18H39NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.29810
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109006_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N109018_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N109012_E098
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109006_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N109018_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N109012_1273
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109006_FB57
SPHINGOMYELIN
3 spectra
C41H83N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
730.59888
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N100101_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N100102_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N100103_FB57
Stearic acid
2 spectra
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109326_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109326_B8BB
TAURINE
2 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.01470
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101002_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101002_EF88
Taurocholic acid
9 spectra
C26H45NO7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
515.29169
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N109416_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N109414_E098
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109426_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N109416_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N109414_1273
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109426_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N109416_2347
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N109414_A098
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N109426_9C9C
Testosterone
3 spectra
C19H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.20889
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109506_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109506_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N109506_FB57
Tetrekis(2-chlorethyl) dichloroisopentyldiphosphat...
12 spectra
C13H24Cl6O8P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
579.90778
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118802
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118803
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118804
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118805
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118806
LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118807
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118808
LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118809
LC-ESI-QTOF; MS2; CE: 50eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118810
LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118811
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118801
LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN118812
THEOPHYLLINE
1 spectrum
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06470
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101301_EF88
THIOPURINE S-METHYLETHER
1 spectrum
C6H6N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.03130
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101701_F638
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